Butoxycaine
Basic information
- CAS
3772-43-8- Standard SMILES
CCCCOc1ccc(C(=O)OCCN(CC)CC)cc1- InChIKey
QNIUOGIMJWORNZ-UHFFFAOYSA-N- Molecular formula
- C17H27NO3
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.19909372
Names & identifiers
- Preferred name
- Butoxycaine
- IUPAC
- 2-(diethylamino)ethyl 4-butoxybenzoate
- English name
- Butoxycaine
- Molecular formula
- C17H27NO3
- Molecular weight
- 293.4
Names & synonyms
Butoxycaine3772-43-889M880K35B2-DIETHYLAMINOETHYL-(P-BUTOXYBENZOATE)RefChem:10803612-(DIETHYLAMINO)ETHYL 4-BUTOXYBENZOATEUNII-89M880K35BBenzoic acid, 4-butoxy-, 2-(diethylamino)ethyl ester (9CI, ACI); Benzoic acid, p-butoxy-, 2-(diethylamino)ethyl ester (6CI, 7CI, 8CI); 2-(Diethylamino)ethyl 4-butoxybenzoate; 2-(Diethylamino)ethyl 4-n-butoxybenzoate; ButoxycaineBUTOXYCAINE [MI]SCHEMBL25553BUTOXYCAINE [WHO-DD]benzoic acid,4-butoxy-,2-(diethylamino)ethyl ester
Show more names
Benzoic acid, 4-butoxy-, 2-(diethylamino)ethyl ester
DTXSID50870957DAA77243NS00007026Q27270050
Database identifiers
- CAS
3772-43-8- PubChem CID
- 16882
- DTXSID
DTXSID50870957- UNII
- 89M880K35B
- Nikkaji
- J2.301.278B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Physicochemical properties
- Boiling point
- 144 · 144-145 °C(Press: 0.06 Torr)
- Density
- 1.009 · 1.009±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 9.2 · 9.20±0.25(Predicted)
- color
- Colourless
- FDA UNII
- 89 M880K35B · 89M880K35B
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesButoxycaine is one of the many in combination drugs used in anesthetics as cardiovascular agent, hypnotics, anesthetics and analgesics.
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Related reactions
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Compound notes
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